N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide

C17H14BrFN2O — CID 113209477

IUPACN-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1Br
InChIInChI=1S/C17H14BrFN2O/c1-10-6-13(3-5-15(10)18)21-17(22)7-11-9-20-16-8-12(19)2-4-14(11)16/h2-6,8-9,20H,7H2,1H3,(H,21,22)
InChIKeyWIIUWJSWRKFUCV-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.56
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide (PubChem CID 113209477) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
PubChem CID113209477
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1Br
InChIInChI=1S/C17H14BrFN2O/c1-10-6-13(3-5-15(10)18)21-17(22)7-11-9-20-16-8-12(19)2-4-14(11)16/h2-6,8-9,20H,7H2,1H3,(H,21,22)
InChIKeyWIIUWJSWRKFUCV-UHFFFAOYSA-N
XLogP4.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N-(4-ethoxy-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86877960
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 172548040
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide (CID 113209477) is N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide is Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is WIIUWJSWRKFUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-10-6-13(3-5-15(10)18)21-17(22)7-11-9-20-16-8-12(19)2-4-14(11)16/h2-6,8-9,20H,7H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 361.21 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).